7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid

C11H23NO3 — CID 87955978

IUPAC7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
SMILESCC(C)(C)ONCCCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-12-9-7-5-4-6-8-10(13)14/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyYGXPWJNPVMJDQE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds8

About 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid

7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid (PubChem CID 87955978) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
PubChem CID87955978
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
SMILESCC(C)(C)ONCCCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-12-9-7-5-4-6-8-10(13)14/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyYGXPWJNPVMJDQE-UHFFFAOYSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)hexanoic acid
CID 4989372
5-(methylamino)pentanoic acid
CID 91583432
N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine
CID 162514509
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
ethane;5-(methylamino)pentanoic acid
CID 178043439
methanol;tridecanedioic acid
CID 175511493
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
2-tert-butylperoxy-2-methylpropane;decanoic acid
CID 159975474
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid (CID 87955978) is 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid is CC(C)(C)ONCCCCCCC(=O)O.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid?
The InChIKey is YGXPWJNPVMJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)15-12-9-7-5-4-6-8-10(13)14/h12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid?
7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid has a molecular weight of 217.31 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid is sourced from PubChem (CID 87955978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).